5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C17H16N2O4 — CID 781135

IUPAC5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(COc3ccccc3OC)n2)cc1
InChIInChI=1S/C17H16N2O4/c1-20-13-9-7-12(8-10-13)17-18-16(23-19-17)11-22-15-6-4-3-5-14(15)21-2/h3-10H,11H2,1-2H3
InChIKeyRWWMIHIFSCFVOS-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.33
Rot. Bonds6

About 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 781135) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID781135
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(COc3ccccc3OC)n2)cc1
InChIInChI=1S/C17H16N2O4/c1-20-13-9-7-12(8-10-13)17-18-16(23-19-17)11-22-15-6-4-3-5-14(15)21-2/h3-10H,11H2,1-2H3
InChIKeyRWWMIHIFSCFVOS-UHFFFAOYSA-N
XLogP3.33
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 781135) is 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(COc3ccccc3OC)n2)cc1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is RWWMIHIFSCFVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-20-13-9-7-12(8-10-13)17-18-16(23-19-17)11-22-15-6-4-3-5-14(15)21-2/h3-10H,11H2,1-2H3.
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 312.33 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 781135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).